U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O2
Molecular Weight 134.132
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPHTHALIDE

SMILES

O=C1CC2=C(O1)C=CC=C2

InChI

InChIKey=ACZGCWSMSTYWDQ-UHFFFAOYSA-N
InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6O2
Molecular Weight 134.132
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
4K47Z4Q1E7
Record Status Validated (UNII)
Record Version